Reducing the amount of aluminum chloride needed for the catalytic preparation of high quality mesophase and carbon materials is important and we have found that using terephthalic acid(PTA)as a co-catalyst serves this...Reducing the amount of aluminum chloride needed for the catalytic preparation of high quality mesophase and carbon materials is important and we have found that using terephthalic acid(PTA)as a co-catalyst serves this purpose.By adding 3%(mass fraction)AlCl_(3)and 0.9%(mass fraction)PTA to the coal tar pitch,approximately 90%mesophase was synthesized.The product(M-3-0.9)had a high stacking order(L_(c)=3.1 nm,n=10.14)and aromaticity(0.942).By adding PTA,a larger anisotropy content was produced using a smaller amount of AlCl_(3).The PTA participated in the polycondensation reaction through its own benzene ring structure to increase the catalytic activity.However,when its content was higher than 1.5%,the number of oxygen-containing groups in the product increased which was unfavorable for the aromatic lamellar stacking and gave rise to more isotropic structures.The work opens up a new way to prepare mesophase by a catalytic method.展开更多
H‐ZSM‐5 zeolite is a typical catalyst for methanol‐to‐olefins(MTO)conversion.Although the performance of zeolite catalysts for MTO conversion is related to the actual location of acid sites in the zeolite framewor...H‐ZSM‐5 zeolite is a typical catalyst for methanol‐to‐olefins(MTO)conversion.Although the performance of zeolite catalysts for MTO conversion is related to the actual location of acid sites in the zeolite framework,the catalytic roles of the acid sites in different pore channels of the H‐ZSM‐5 zeolite are not well understood.In this study,the MTO reaction network,involving the aromatic cycle,alkene cycle,and aromatization process,and also the diffusion behavior of methanol feedstock and olefin and aromatic products at different acid sites in the straight channel,sinusoidal channel,and intersection cavity of H‐ZSM‐5 zeolite was comparatively investigated using density functional theory calculations and molecular dynamic simulations.The results indicated that the aromatic cycle and aromatization process occurred preferentially at the acid sites in the intersection cavities with a much lower energy barrier than that at the acid sites in the straight and sinusoidal channels.In contrast,the formation of polymethylbenzenes was significantly suppressed at the acid sites in the sinusoidal and straight channels,whereas the alkene cycle can occur at all three types of acid sites with similar energy barriers and probabilities.Consequently,the catalytic performance of H‐ZSM‐5 zeolite for MTO conversion,including activity and product selectivity,can be regulated properly through the purposive alteration of the acid site distribution,viz.,the location of Al in the zeolite framework.This study helps to elucidate the relation between the catalytic performance of different acid sites in the H‐ZSM‐5 zeolite framework for MTO conversion,which should greatly benefit the design of efficient catalyst for methanol conversion.展开更多
Flow property of coal ash and slag is an important parameter for slag tapping of entrained flow gasifier.The viscosity of slag with high contents of calcium and iron exhibits the behavior of a crystalline slag,of whic...Flow property of coal ash and slag is an important parameter for slag tapping of entrained flow gasifier.The viscosity of slag with high contents of calcium and iron exhibits the behavior of a crystalline slag,of which viscosity sharply increases when temperature is lowered than temperature of critical viscosity(TCV).The fluctuation in temperature near the TCVcan cause an accumulation of slag inside the gasifier.In order to prevent slag blockage,it is necessary to adjust the ash composition by additive to modify the flow property of coal rich in calcium and iron.Main components of coal gangue are Al_(2)O_(3) and SiO_(2),which is a potential additive to modify the ash flow properties of these coals.In this work,we investigated the ash flow properties of a typical coal rich in calcium and iron by adding coal gangue with different SiO_(2)/Al_(2)O_(3)ratio.The results showed that the ash fusion temperatures(AFTs)firstly decreased,and then increased with increasing amount of coal gangue addition.Chemical composition of coal ash rich in calcium and iron moved from gehlenite primary phase to anorthite,quartz and corundum primary phases.The slags with coal gangue addition behaved as a glassy slag,of which the viscosity gradually increased as temperature decreased.Besides,a high SiO_(2)/Al_(2)O_(3)ratio of coal gangue was beneficial to modify the slag viscosity behavior.Addition of coal gangue with a high SiO_(2)/Al_(2)O_(3)ratio impeded formation of crystalline phases during cooling.This work demonstrated that coal gangue addition was an effective way to improve the ash flow properties of the coal rich in calcium and iron for the entrained flow gasifier.展开更多
Transformation of mineral matter is important for coal utilization at high temperatures.This is especially true for blended coal.XRD and FTIR were employed together to study the transformation of mineral matter at hig...Transformation of mineral matter is important for coal utilization at high temperatures.This is especially true for blended coal.XRD and FTIR were employed together to study the transformation of mineral matter at high temperature in blended coals.It was found that the concentration of catalytic minerals, namely iron oxides, increases with an increasing ratio of Shenfu coal, which could improve coal gasification.The transformation characteristics of the minerals in blended coals are not exactly predictable from the blend ratio.This was proved by comparing the iron oxide content to the blending ratio.The results from FTIR are comparable with those from XRD.FTIR is an effective method for examining variation in mineral matter.展开更多
Coal catalytic hydrogasification(CCHG)is a straightforward approach for producing CH_(4),which shows advantages over the mature coal-to-CH_(4) technologies from the perspectives of CH_(4) yield,thermal efficiency,and ...Coal catalytic hydrogasification(CCHG)is a straightforward approach for producing CH_(4),which shows advantages over the mature coal-to-CH_(4) technologies from the perspectives of CH_(4) yield,thermal efficiency,and CO_(2) emission.The core of CCHG is to make carbon in coal convert into CH_(4) efficiently with a catalyst.In the past decades,intensive research has been devoted to catalytic hydrogasification of model carbon(pitch coke,activated carbon,coal char).However,the chemical process of CCHG is still not well understood because the coal structure is more complicated,and CCHG is a combination of coal catalytic hydropyrolysis and coal char catalytic hydrogasification.This review seeks to shed light on the catalytic process of raw coal during CCHG.The configuration of suitable catalysts,operating conditions,and feedstocks for tailoring CH_(4) formation were identified,and the underlying mechanisms were elucidated.Based on these results,the CCHG process was evaluated,emphasizing pollutant emissions,energy efficiency,and reactor design.Furthermore,the opportunities and strategic approaches for CCHG under the restraint of carbon neutrality were highlighted by considering the penetration of“green”H2,biomass,and CO_(2) into CCHG.Preliminary investigations from our laboratories demonstrated that the integrated CCHG and biomass/CO_(2) hydrogenation process could perform as an emerging pathway for boosting CH_(4) production by consuming fewer fossil fuels,fulfilling the context of green manufacturing.This work not only provides systematic knowledge of CCHG but also helps to guide the efficient hydrogenation of other carbonaceous resources such as biomass,CO_(2),and coal-derived wastes.展开更多
The production of poly-α-olefins(PAOs)has attracted attention due to their excellent viscosity-temperature dependence,wear characteristics,oxidative properties,and high thermal stability.In this study,indene extracte...The production of poly-α-olefins(PAOs)has attracted attention due to their excellent viscosity-temperature dependence,wear characteristics,oxidative properties,and high thermal stability.In this study,indene extracted during coal tar refining was used as a raw material to synthesize a bis(indenyl)zirconium dichloride metallocene catalyst.A PAO with low viscosity and a high viscosity index was produced via the oligomerization of 1-decene in the presence of both the prepared metallocene and a methylaluminoxane(MAO)co-catalyst.Notably,the effects of different synthesis reaction parameters,such as Al:Zr ratio,amount of catalyst,and reaction temperature,on the conversion ratio and product selectivity were investigated in detail.The produced PAO was thoroughly characterized using Fourier-transform infrared,^(13)C,and^(1)H nuclear magnetic resonance spectroscopies;gas chromatography;and viscosity measurements.At 70℃,the metallocene catalyst created more stable active sites.In addition,the alkylation effect of MAO was noticeable.Interestingly,the obtained catalysis results demonstrated that a high conversion ratio of~93%was achieved at a low reaction temperature of 70℃,with a catalyst dosage of 0.0848 mmol and Al:Zr ratio of 8.48mmol:0.0848mmol.Moreover,under these optimal conditions,the kinematic viscosity of PAO was 4.25 mm2/s at 100℃,and the viscosity index was 139,indicating good viscosity-temperature properties.展开更多
Abstract Asphaltene, from co-processing of coal and petroleum residues is one of the most precious and complex molecular mixtures existing, with tremendous economic relevance. Asphaltene was separated by Soxhlet extra...Abstract Asphaltene, from co-processing of coal and petroleum residues is one of the most precious and complex molecular mixtures existing, with tremendous economic relevance. Asphaltene was separated by Soxhlet extraction with methylbenzene and then divided into three parts by distillation. Gas chromatography （GC） and high-performance liquid chromatography （HPLC） were coupled with quadrupole time-of-flight mass spectrometry （Q-TOF MS） to separate and characterize organic nitrogen species in the distillates of asphaltene at molecular level. Molecular mass of compounds was mainly distributed from 150 to 600 ~t. Number of rings plus double bonds （rdb） and synchronous fluorescence spectra indicated that most of the organonitrogen compounds （NPAC） contained heterocyclic aromatic rings, including pyridines, anilines, quinolins, pyrroles, carbazoles and indoles plus various alkyl groups. Constant-wavelength synchronous fluo- rescence spectrometry （CWSFS） indicated NPAC with 2-3 rings were the main structures of organonitrogen compounds and the corresponding structural information was proposed. Some organic nitrogen isomers were separated and identified by atmospheric pressure chemical ionization （APCI） GC-Q-TOF MS and electrospray ionization （ESI） HPLC-Q-TOF MS. The methodology applied here contained chromatographic injection of the diluted sample using conventional columns sets and Data Analysis 4.2 software. Identifying molecular structures provides a foundation to understand all aspects of coal- derived asphaltene, enabling a first-principles approach to optimize resource utilization.展开更多
One of the crucial issues in modern ash chemistry is the realization of efficient and clean coal conversion.Industrially,large-scale coal gasification technology is well known as the foundation to improve the atom eco...One of the crucial issues in modern ash chemistry is the realization of efficient and clean coal conversion.Industrially,large-scale coal gasification technology is well known as the foundation to improve the atom economy.In practice,the coal ash fusibility is a critical factor to determine steady operation standards of the gasifier,which is also the significant criterion to coal species selection for gasification.Since coal behaviors are resultant from various evolutions in different scales,the multi-scale understanding of the ash chemistry is of significance to guide the fusibility adjustment for coal gasification.Considering important roles of molecular simulation in exploring ash chemistry,this paper reviews the recent studies and developments on modeling of molecular systems for fusibility related ash chemistry for the first time.The discussions are emphasized on those performed by quantum mechanics and molecular mechanics,the two major simulation methods for microscopic systems,which may provide various insights into fusibility mechanism.This review article is expected to present comprehensive information for recent molecular simulations of coal chemistry so that new clues to find strategies controlling the ash fusion behavior can be obtained.展开更多
The methanol conversion over Fe-Zn-Zr catalyst was studied at 0.1 MPa and 280-360 ℃ The experimental results indicate that the main products of methanol conversion are methane and butane, and that other hydrocarbons ...The methanol conversion over Fe-Zn-Zr catalyst was studied at 0.1 MPa and 280-360 ℃ The experimental results indicate that the main products of methanol conversion are methane and butane, and that other hydrocarbons are scarcely produced. All results show that propylene is most probably the olefin formed first in methanol conversion rather than ethene over Fe-Zn-Zr catalyst. Methane is formed from methoxy group, and C4 is possibly yielded on the surface from propylene through binding with a methoxy group.展开更多
Pitch produced by the lique-faction of coal was divided into two frac-tions:soluble in toluene(TS)and insol-uble in toluene but soluble in pyridine(TI-PS),and their differences in molecu-lar structure and oxidation ac...Pitch produced by the lique-faction of coal was divided into two frac-tions:soluble in toluene(TS)and insol-uble in toluene but soluble in pyridine(TI-PS),and their differences in molecu-lar structure and oxidation activity were studied.Several different carbon materi-als were produced from them by oxida-tion in air(350℃,300 mL/min)fol-lowed by carbonization(1000℃ in Ar),and the effect of the cross-linked structure on their structure and sodium storage properties was investigated.The results showed that the two pitch fractions were obviously different after the air oxidation.The TS fraction with a low degree of condensation and abundant side chains had a stronger oxidation activity and thus introduced more cross-linked oxygen-containing functional groups C(O)―O which prevented carbon layer rearrangement during the carbonization.As a result,a disordered hard carbon with more defects was formed,which improved the electrochemical performance.Therefore,the carbon materials derived from TS(O-TS-1000)had an obvious disordered structure and a larger layer spacing,giving them better sodium storage perform-ance than those derived from the TI-PS fraction(O-TI-PS-1000).The specific capacity of O-TS-1000 was about 250 mAh/g at 20 mA/g,which was 1.67 times higher than that of O-TI-PS-1000(150 mAh/g).展开更多
Developing efficient and stable non-precious metal catalysts is essential for replacing platinum-based catalysts in polymer electrolyte membrane fuel cells(PEMFCs).The transition metal and nitrogen co-doped carbon ele...Developing efficient and stable non-precious metal catalysts is essential for replacing platinum-based catalysts in polymer electrolyte membrane fuel cells(PEMFCs).The transition metal and nitrogen co-doped carbon electrocatalyst(M-N-C)is considered an effective alternative to precious metal catalysts.However,its relatively poor performance in acidic environments has always been a problem plaguing its practical application in PEMFCs.This study presents a sequential deposition methodology for constructing a composite catalytic system of Fe-N-C and ionic liquid(IL),which exhibits improved performance at both half-cell and membrane electrode assembly scales.The presence of IL significantly inhibits H_(2)O_(2)production,preferentially promoting the 4e–O_(2)reduction reaction,resulting in improved electrocatalytic activity and stability.Additionally,the enhanced PEMFC performance of IL containing electrodes is a direct result of the improved ionic and reactant accessibility of the pore confined Fe-N-C catalysts where the IL minimizes local resistive transport losses.This study establishes a strategic foundation for the practical utilization of non-precious metal catalysts in PEMFCs and other energy converting technologies.展开更多
Temperature is a critical factor influencing the performance of coal catalytic hydrogasification in bubbling fluidized bed gasifiers.Numerical simulations at various temperatures(1023 K,1073 K,1123 K,and 1173 K)are co...Temperature is a critical factor influencing the performance of coal catalytic hydrogasification in bubbling fluidized bed gasifiers.Numerical simulations at various temperatures(1023 K,1073 K,1123 K,and 1173 K)are conducted to elucidate the mechanisms by which temperature affects bubble size,global reaction performance,and particle-scale reactivity.The simulation results indicate that bubble size increases at elevated temperatures,while H_(2)-char hydrogasification reactivity is enhanced.Particle trajectory analyses reveal that particles sized between 100 and 250μm undergo intense char hydrogasification in the dense phase,contributing to the formation of hot spots.To assess the impact of temperature on the particle-scale flow-transfer-reaction process,the dimensionless quantities of Reynolds,Nusselt,and Sherwood numbers,along with the solids dispersion coefficient,are calculated.It is found that higher temperatures inhibit bubble-induced mass and heat transfer.In general,3 MPa,1123 K,and 3-4 fluidization numbers are identified as the optimal conditions for particles ranging from 0 to350μm.These findings provide valuable insights into the inherent interactions between temperature and gas-particle reaction.展开更多
Clean and highly efficient utilization of coal is an important scientific and technological issue.As the petroleum resource decreases but its consumption increases, all of the countries in the world have to face the b...Clean and highly efficient utilization of coal is an important scientific and technological issue.As the petroleum resource decreases but its consumption increases, all of the countries in the world have to face the big issue of sustainable development of energy and economy and protection of environment.Therefore, study on clean coal technology (CCT) has attracted much attention and become one of important themes of energy research.展开更多
In recent years,numer-ous single-atom catalysts(SACs)have been synthesized to activate persulfate(PS)by a non-radical pathway because of its high se-lectivity,and activity for the cata-lyst.Metal-nitrogen-carbon(M-N_(...In recent years,numer-ous single-atom catalysts(SACs)have been synthesized to activate persulfate(PS)by a non-radical pathway because of its high se-lectivity,and activity for the cata-lyst.Metal-nitrogen-carbon(M-N_(x)-C)has been identified as the key active site in SACs.Although methods for preparing SACs have been extensively reported,a systematic summary of the direct construction of M-N_(x)-C,espe-cially unconventional metal-nitrogen-carbon(UM-N_(x)-C,x≠4),on SACs for PS non-radical activation has still not been reported.The role of the M-N_(x)-C active sites on PS non-radical activation is discussed and methods for the formation of M-N_(x)-C and UM-N_(x)-C active sites in SACs and the effect of catalyst carriers such as carbon nitride(g-C_(3)N_(4)),MOFs,COFs,and other car-bon materials are reviewed.Direct and indirect methods,especially for UM-N_(x)-C active site formation,are also elaborated.Factors affecting the formation of a M-N_(x)-C active site on SACs are also discussed.Prospects for the use of M-N_(x)-C active sites for the non-radical activation of PS by SACs to remove organic contaminants from wastewater are evaluated.展开更多
Transformation of urea and glycerol to glycerol carbonate is an environmental friendly and economical process.Catalysts play an indispensable role in the process.Although many catalysts have been developed,the perform...Transformation of urea and glycerol to glycerol carbonate is an environmental friendly and economical process.Catalysts play an indispensable role in the process.Although many catalysts have been developed,the performance of the catalysts still cannot meet the needs of industrialization.In this paper,research progress of the homogeneous and heterogeneous catalysts of the reaction over the past 20 years were reviewed systematically.According to the types and active centers of catalysts,the catalysts were classified systematically and analyzed in detail.The typical reaction mechanisms were also summarized.The research and development direction of catalysts is made more explicit through systematic classification and mechanism analysis.The article reveals more novel catalysts have been designed and used for the reaction,such as mixed metal oxides with special structures,solid wastes and non-metallic materials.This work summarized the current state of research and prospected possible routes for design of novel catalysts.It is hoped that this review can provide some references for developing efficient catalysts.展开更多
Electrocatalytic carbon dioxide reduction(CO_(2)RR)represents an innovative technology for energy conversion by converting CO_(2)into value-added multi-carbon fuels and chemicals,with copper(Cu)-based catalysts playin...Electrocatalytic carbon dioxide reduction(CO_(2)RR)represents an innovative technology for energy conversion by converting CO_(2)into value-added multi-carbon fuels and chemicals,with copper(Cu)-based catalysts playing a pivotal role as the only known metallic capable of driving such multi-carbon product formation.However,pure Cu catalysts suffer from intrinsic limitations,including suboptimal selectivity toward desired hydrocarbons due to unstable key intermediate,and rapid deactivation caused by catalyst surface reconstruction under operational conditions.Cu-based alloy catalysts address the challenges of low selectivity,poor stability,and high overpotential in the electrocatalytic reduction of CO_(2)by optimizing intermediate adsorption and enhancing reaction kinetics.This review systematically examines the catalytic mechanisms,design principles,and performance of Cu alloys in steering CO_(2)RR pathways toward key products(CO,HCOOH,CH_(4),C_(2)H_(4),and C_(2+)alcohols).By alloying Cu with secondary metals(e.g.,Ag,Zn,Sn,or rare-earth elements),bimetallic electronic effects modulate intermediate adsorption energetics(^(*)CO,^(*)COOH,^(*)OCHO)and enhance C–C coupling kinetics.We propose future directions integrating in situ characterization and machine learning-driven alloy design to bridge fundamental understanding with industrial application.This work provides a comprehensive roadmap for developing nextgeneration Cu alloy catalysts to enable efficient CO_(2)valorization in a carbon–neutral energy landscape.展开更多
To optimize secondary air nozzle structure in purifying burner,this study focused on the comparison of purification,combustion and NO_(x)emission characteristics of pulverized coal preheated by a 30 kW purifying burne...To optimize secondary air nozzle structure in purifying burner,this study focused on the comparison of purification,combustion and NO_(x)emission characteristics of pulverized coal preheated by a 30 kW purifying burner with coaxial and centrosymmetric structures.Centrosymmetric structure shifted the position of main burning region down in high-temperature reduction unit(HTRU),and the number of branches differently influenced the temperature in different regions with this structure.For reductive gas components,CO concentration with centrosymmetric structure was higher compared to coaxial structure,while the differences in H_(2)and CH_(4)concentrations were smaller.Centrosymmetric structure was more disadvantageous to improve physicochemical properties of pulverized coal compared to coaxial structure,and this structure with four branches further deteriorated its properties compared to two branches.In mild combustion unit(MCU),the temperature at top was lower with centrosymmetric structure,while was higher in the rest.Centrosymmetric structure more effectively reduced NO_(x)emission compared to coaxial structure,but with slight sacrifice of combustion efficiency(η).Moreover,both two-branch and four-branch centrosymmetric structures realized ultra-low NO_(x)emission(<50 mg·m^(-3))with high η of over 98.50%,and the former was more advantageous.With this optimal structure,η and NO_(x)emission were 99.25%and 40.42 mg·m^(-3).展开更多
The huge carrier transfer resistance caused by large-sized"nitrogen pot"severely limits the photocatalytic performance of carbon nitride(CN).This study aims to explore the selection principle of metal ion br...The huge carrier transfer resistance caused by large-sized"nitrogen pot"severely limits the photocatalytic performance of carbon nitride(CN).This study aims to explore the selection principle of metal ion bridges for constructing dual carrier-transfer channels to delivery carriers to respectively active sites using photodegradation of phenol as the model reaction.Density functional theory(DFT)calculation was used to optimize the structure model of nitrogen vacancies(Nv,provide active sites for reduction of O_(2) and oxidation of phenol)and metal ions(Fe^(3+),Co^(2+),Ni^(2+)or Cu^(2+))co-modified CN,and screen metal ion bridges based on the three parameters including bonding state of metal ion and"nitrogen pot",electrostatic potential(ESP)distribution around the active sites,and three-electron bond length.Both calculation results and activity data show that Fe^(3+),Co^(2+)and Ni^(2+)can construct dual carrier-transfer channels to promote the degradation of phenol while Cu^(2+)cannot Ny and Fe^(3+)co-modified CN(Fe/N_(v)-CN)showed the best catalytic performance among various catalysts and was used as the model catalyst for the detailed characterization to verify the calculation results.This work provides not only the novel strategy for constructing dual carrier-transfer channels in CN,but also the crucial basis for computer simulation as a prediction tool of catalyst structure design rationality.展开更多
There is an urgent need to investigate the distinct performance and mechanism of traditional constructed wetland(CW),microbial fuel cells-constructed wetland(MFC-CW)and direct-enchanced constructed wetland(EC-CW)for a...There is an urgent need to investigate the distinct performance and mechanism of traditional constructed wetland(CW),microbial fuel cells-constructed wetland(MFC-CW)and direct-enchanced constructed wetland(EC-CW)for antibiotics removal.To address this issues,three kinds of CWs were bulit and distinct performance and mechanism for levofloxacin(LVFX)removal was expored in this study.MFC-CW,EC-CW achieved high LVFX removal efficiencies compared with traditional constructed wetland(96.0%in MFC-CW,95.0%in EC-CW and 91.2%in CW)and the biodegradation was the key contributor(90.7%-95.3%).MFC-CW is better capable to stimulate microbial activity and strengthen the removal effect of LVFX.MFC-CW performed well in reducing the effluent's ecotoxicity(dehydrogenase activity)and antibiotic resistance genes(ARGs).ARGs were mainly distributed in the anode region of MFC-CW while accumulating in the cathode region of EC-CW.Atribacteria,Chlorobi,Synergistetes and Firmicutes significicant effect on the efficiencies of TN,NH_(4)^(+),and LVFX.The core node for microbial community interaction in CW was only Pseudomonas in Proteobacteria(OTU4537).While MFC-CW included Opitutae_vadin HA64(OTU3153)in Verrucomicrobia,Desulfomicrobium(OTU3629)in Proteobacteria,and Actinobacteria Gaiellales(OTU4206),and EC-CW included Mesotoga(OTU1104)in Thermotogae,Syntrophus(OTU3207)in Proteobacteria and Emticicia(OTU3788)in Bacteroidetes.MFC-CW and EC-CW increased the abundance of critical microbial communities,and the microbial communities were more closely related.This study improved the understanding of the molecular mechanisms underlying the enhancement of CW by the two bioelectrochemical methods.展开更多
The widespread use of plastic waste has caused significant environmental pollution,becoming a focal point of global concern,particularly the challenge of dechlorination in mixed plastic waste.Selective dissolution is ...The widespread use of plastic waste has caused significant environmental pollution,becoming a focal point of global concern,particularly the challenge of dechlorination in mixed plastic waste.Selective dissolution is a promising plastic chemical recycling technology that offers benefits such as simple processes,convenient operation,and recyclable solvents.However,selecting suitable solvents remains a challenge.This study establishes a virtual solvent database containing 530 common inorganic and organic solvents.By calculating theσ-profile of polyvinyl chloride(PVC)and polyethylene(PE)models using quantum mechanical calculations and employing the conductor-like screening model for real solvents(COSMO-RS)method,the solubility performance of these solvents for PVC and PE at different temperatures was predicted.The results demonstrate the high accuracy of the COSMO-RS method in predicting solubility.By comparing the solubility differences between PVC and PE in different solvents,a series of solvents suitable for selectively removing PVC from mixed plastics were identified,for example,N-methyl-2-pyrrolidone(NMP),dimethyl sulfoxide(DMSO),tetrahydrofuran(THF),and N,Ndimethylacetamide(DMAc).This method provides a novel solution to the solvent selection challenge in plastic chemical recycling,potentially shortening the research and development period,reducing experimental costs,and promoting the development of green and refined waste plastic recycling processes.展开更多
文摘Reducing the amount of aluminum chloride needed for the catalytic preparation of high quality mesophase and carbon materials is important and we have found that using terephthalic acid(PTA)as a co-catalyst serves this purpose.By adding 3%(mass fraction)AlCl_(3)and 0.9%(mass fraction)PTA to the coal tar pitch,approximately 90%mesophase was synthesized.The product(M-3-0.9)had a high stacking order(L_(c)=3.1 nm,n=10.14)and aromaticity(0.942).By adding PTA,a larger anisotropy content was produced using a smaller amount of AlCl_(3).The PTA participated in the polycondensation reaction through its own benzene ring structure to increase the catalytic activity.However,when its content was higher than 1.5%,the number of oxygen-containing groups in the product increased which was unfavorable for the aromatic lamellar stacking and gave rise to more isotropic structures.The work opens up a new way to prepare mesophase by a catalytic method.
文摘H‐ZSM‐5 zeolite is a typical catalyst for methanol‐to‐olefins(MTO)conversion.Although the performance of zeolite catalysts for MTO conversion is related to the actual location of acid sites in the zeolite framework,the catalytic roles of the acid sites in different pore channels of the H‐ZSM‐5 zeolite are not well understood.In this study,the MTO reaction network,involving the aromatic cycle,alkene cycle,and aromatization process,and also the diffusion behavior of methanol feedstock and olefin and aromatic products at different acid sites in the straight channel,sinusoidal channel,and intersection cavity of H‐ZSM‐5 zeolite was comparatively investigated using density functional theory calculations and molecular dynamic simulations.The results indicated that the aromatic cycle and aromatization process occurred preferentially at the acid sites in the intersection cavities with a much lower energy barrier than that at the acid sites in the straight and sinusoidal channels.In contrast,the formation of polymethylbenzenes was significantly suppressed at the acid sites in the sinusoidal and straight channels,whereas the alkene cycle can occur at all three types of acid sites with similar energy barriers and probabilities.Consequently,the catalytic performance of H‐ZSM‐5 zeolite for MTO conversion,including activity and product selectivity,can be regulated properly through the purposive alteration of the acid site distribution,viz.,the location of Al in the zeolite framework.This study helps to elucidate the relation between the catalytic performance of different acid sites in the H‐ZSM‐5 zeolite framework for MTO conversion,which should greatly benefit the design of efficient catalyst for methanol conversion.
基金supported by the Fundamental Research Funds for the Central Universities(2017CXNL04)。
文摘Flow property of coal ash and slag is an important parameter for slag tapping of entrained flow gasifier.The viscosity of slag with high contents of calcium and iron exhibits the behavior of a crystalline slag,of which viscosity sharply increases when temperature is lowered than temperature of critical viscosity(TCV).The fluctuation in temperature near the TCVcan cause an accumulation of slag inside the gasifier.In order to prevent slag blockage,it is necessary to adjust the ash composition by additive to modify the flow property of coal rich in calcium and iron.Main components of coal gangue are Al_(2)O_(3) and SiO_(2),which is a potential additive to modify the ash flow properties of these coals.In this work,we investigated the ash flow properties of a typical coal rich in calcium and iron by adding coal gangue with different SiO_(2)/Al_(2)O_(3)ratio.The results showed that the ash fusion temperatures(AFTs)firstly decreased,and then increased with increasing amount of coal gangue addition.Chemical composition of coal ash rich in calcium and iron moved from gehlenite primary phase to anorthite,quartz and corundum primary phases.The slags with coal gangue addition behaved as a glassy slag,of which the viscosity gradually increased as temperature decreased.Besides,a high SiO_(2)/Al_(2)O_(3)ratio of coal gangue was beneficial to modify the slag viscosity behavior.Addition of coal gangue with a high SiO_(2)/Al_(2)O_(3)ratio impeded formation of crystalline phases during cooling.This work demonstrated that coal gangue addition was an effective way to improve the ash flow properties of the coal rich in calcium and iron for the entrained flow gasifier.
基金Projects 2005CB217701-03 supported by the National Basic Research Program of China2005DFA60220 by the Ministry of Science and Technology of China
文摘Transformation of mineral matter is important for coal utilization at high temperatures.This is especially true for blended coal.XRD and FTIR were employed together to study the transformation of mineral matter at high temperature in blended coals.It was found that the concentration of catalytic minerals, namely iron oxides, increases with an increasing ratio of Shenfu coal, which could improve coal gasification.The transformation characteristics of the minerals in blended coals are not exactly predictable from the blend ratio.This was proved by comparing the iron oxide content to the blending ratio.The results from FTIR are comparable with those from XRD.FTIR is an effective method for examining variation in mineral matter.
基金National Natural Science Foundation of China(22308170)A Project Supported by Scientific Research Fund of Zhejiang Provincial Education Department(Y202250270)+2 种基金Key research and development project of Shanxi Province(202102090301029)Scientific Research Incubation Program of Ningbo University of Technology(2022TS12)Scientific Research Project Funded by Ningbo University of Technology(2022KQ04).
文摘Coal catalytic hydrogasification(CCHG)is a straightforward approach for producing CH_(4),which shows advantages over the mature coal-to-CH_(4) technologies from the perspectives of CH_(4) yield,thermal efficiency,and CO_(2) emission.The core of CCHG is to make carbon in coal convert into CH_(4) efficiently with a catalyst.In the past decades,intensive research has been devoted to catalytic hydrogasification of model carbon(pitch coke,activated carbon,coal char).However,the chemical process of CCHG is still not well understood because the coal structure is more complicated,and CCHG is a combination of coal catalytic hydropyrolysis and coal char catalytic hydrogasification.This review seeks to shed light on the catalytic process of raw coal during CCHG.The configuration of suitable catalysts,operating conditions,and feedstocks for tailoring CH_(4) formation were identified,and the underlying mechanisms were elucidated.Based on these results,the CCHG process was evaluated,emphasizing pollutant emissions,energy efficiency,and reactor design.Furthermore,the opportunities and strategic approaches for CCHG under the restraint of carbon neutrality were highlighted by considering the penetration of“green”H2,biomass,and CO_(2) into CCHG.Preliminary investigations from our laboratories demonstrated that the integrated CCHG and biomass/CO_(2) hydrogenation process could perform as an emerging pathway for boosting CH_(4) production by consuming fewer fossil fuels,fulfilling the context of green manufacturing.This work not only provides systematic knowledge of CCHG but also helps to guide the efficient hydrogenation of other carbonaceous resources such as biomass,CO_(2),and coal-derived wastes.
基金supported by the Chinese Academy of Sciences Strategic Pilot Science and Technology Special (Class A)(XDA21020000)the National Natural Science Foundation of China (22072175,21673272)support from the Ulam program,awarded by the Polish National Agency for Academic Exchange (NAWA),Poland,under project No.PPN/ULM/2020/1/00006/DEC/1
文摘The production of poly-α-olefins(PAOs)has attracted attention due to their excellent viscosity-temperature dependence,wear characteristics,oxidative properties,and high thermal stability.In this study,indene extracted during coal tar refining was used as a raw material to synthesize a bis(indenyl)zirconium dichloride metallocene catalyst.A PAO with low viscosity and a high viscosity index was produced via the oligomerization of 1-decene in the presence of both the prepared metallocene and a methylaluminoxane(MAO)co-catalyst.Notably,the effects of different synthesis reaction parameters,such as Al:Zr ratio,amount of catalyst,and reaction temperature,on the conversion ratio and product selectivity were investigated in detail.The produced PAO was thoroughly characterized using Fourier-transform infrared,^(13)C,and^(1)H nuclear magnetic resonance spectroscopies;gas chromatography;and viscosity measurements.At 70℃,the metallocene catalyst created more stable active sites.In addition,the alkylation effect of MAO was noticeable.Interestingly,the obtained catalysis results demonstrated that a high conversion ratio of~93%was achieved at a low reaction temperature of 70℃,with a catalyst dosage of 0.0848 mmol and Al:Zr ratio of 8.48mmol:0.0848mmol.Moreover,under these optimal conditions,the kinematic viscosity of PAO was 4.25 mm2/s at 100℃,and the viscosity index was 139,indicating good viscosity-temperature properties.
基金Acknowledgements The authors gratefully acknowledge the financial support of this work by the National Natural Science Foundation of China （No. U1510122）. The authors declare that the experiments comply with the current laws of China.
文摘Abstract Asphaltene, from co-processing of coal and petroleum residues is one of the most precious and complex molecular mixtures existing, with tremendous economic relevance. Asphaltene was separated by Soxhlet extraction with methylbenzene and then divided into three parts by distillation. Gas chromatography （GC） and high-performance liquid chromatography （HPLC） were coupled with quadrupole time-of-flight mass spectrometry （Q-TOF MS） to separate and characterize organic nitrogen species in the distillates of asphaltene at molecular level. Molecular mass of compounds was mainly distributed from 150 to 600 ~t. Number of rings plus double bonds （rdb） and synchronous fluorescence spectra indicated that most of the organonitrogen compounds （NPAC） contained heterocyclic aromatic rings, including pyridines, anilines, quinolins, pyrroles, carbazoles and indoles plus various alkyl groups. Constant-wavelength synchronous fluo- rescence spectrometry （CWSFS） indicated NPAC with 2-3 rings were the main structures of organonitrogen compounds and the corresponding structural information was proposed. Some organic nitrogen isomers were separated and identified by atmospheric pressure chemical ionization （APCI） GC-Q-TOF MS and electrospray ionization （ESI） HPLC-Q-TOF MS. The methodology applied here contained chromatographic injection of the diluted sample using conventional columns sets and Data Analysis 4.2 software. Identifying molecular structures provides a foundation to understand all aspects of coal- derived asphaltene, enabling a first-principles approach to optimize resource utilization.
基金supported by National Nataral Science Foundation of China-Deutsche Forschungsgemeinschaft(Grant number21761132032)National Key R&D Program of China(2017YFB0304300&2017YFB0304303)National Key R&D Program of China(2017YFB0304000)。
文摘One of the crucial issues in modern ash chemistry is the realization of efficient and clean coal conversion.Industrially,large-scale coal gasification technology is well known as the foundation to improve the atom economy.In practice,the coal ash fusibility is a critical factor to determine steady operation standards of the gasifier,which is also the significant criterion to coal species selection for gasification.Since coal behaviors are resultant from various evolutions in different scales,the multi-scale understanding of the ash chemistry is of significance to guide the fusibility adjustment for coal gasification.Considering important roles of molecular simulation in exploring ash chemistry,this paper reviews the recent studies and developments on modeling of molecular systems for fusibility related ash chemistry for the first time.The discussions are emphasized on those performed by quantum mechanics and molecular mechanics,the two major simulation methods for microscopic systems,which may provide various insights into fusibility mechanism.This review article is expected to present comprehensive information for recent molecular simulations of coal chemistry so that new clues to find strategies controlling the ash fusion behavior can be obtained.
基金Foundation item:this work was Financially supported by the National Natural Science Foundation of China(Project No.29973056).
文摘The methanol conversion over Fe-Zn-Zr catalyst was studied at 0.1 MPa and 280-360 ℃ The experimental results indicate that the main products of methanol conversion are methane and butane, and that other hydrocarbons are scarcely produced. All results show that propylene is most probably the olefin formed first in methanol conversion rather than ethene over Fe-Zn-Zr catalyst. Methane is formed from methoxy group, and C4 is possibly yielded on the surface from propylene through binding with a methoxy group.
文摘Pitch produced by the lique-faction of coal was divided into two frac-tions:soluble in toluene(TS)and insol-uble in toluene but soluble in pyridine(TI-PS),and their differences in molecu-lar structure and oxidation activity were studied.Several different carbon materi-als were produced from them by oxida-tion in air(350℃,300 mL/min)fol-lowed by carbonization(1000℃ in Ar),and the effect of the cross-linked structure on their structure and sodium storage properties was investigated.The results showed that the two pitch fractions were obviously different after the air oxidation.The TS fraction with a low degree of condensation and abundant side chains had a stronger oxidation activity and thus introduced more cross-linked oxygen-containing functional groups C(O)―O which prevented carbon layer rearrangement during the carbonization.As a result,a disordered hard carbon with more defects was formed,which improved the electrochemical performance.Therefore,the carbon materials derived from TS(O-TS-1000)had an obvious disordered structure and a larger layer spacing,giving them better sodium storage perform-ance than those derived from the TI-PS fraction(O-TI-PS-1000).The specific capacity of O-TS-1000 was about 250 mAh/g at 20 mA/g,which was 1.67 times higher than that of O-TI-PS-1000(150 mAh/g).
基金国家自然科学基金(22202124,22208376)山西省科技创新团队专项资金(202304051001023)+3 种基金山西省重点研发计划(202302060301009)山西省国家留学基金委(2023-008,2023-009)山东省自然科学基金(ZR2023LFG005)青岛新能源山东实验室开放项目(QNESL OP 202303).
文摘Developing efficient and stable non-precious metal catalysts is essential for replacing platinum-based catalysts in polymer electrolyte membrane fuel cells(PEMFCs).The transition metal and nitrogen co-doped carbon electrocatalyst(M-N-C)is considered an effective alternative to precious metal catalysts.However,its relatively poor performance in acidic environments has always been a problem plaguing its practical application in PEMFCs.This study presents a sequential deposition methodology for constructing a composite catalytic system of Fe-N-C and ionic liquid(IL),which exhibits improved performance at both half-cell and membrane electrode assembly scales.The presence of IL significantly inhibits H_(2)O_(2)production,preferentially promoting the 4e–O_(2)reduction reaction,resulting in improved electrocatalytic activity and stability.Additionally,the enhanced PEMFC performance of IL containing electrodes is a direct result of the improved ionic and reactant accessibility of the pore confined Fe-N-C catalysts where the IL minimizes local resistive transport losses.This study establishes a strategic foundation for the practical utilization of non-precious metal catalysts in PEMFCs and other energy converting technologies.
基金supported by the National Natural Science Foundation of China(22308170).
文摘Temperature is a critical factor influencing the performance of coal catalytic hydrogasification in bubbling fluidized bed gasifiers.Numerical simulations at various temperatures(1023 K,1073 K,1123 K,and 1173 K)are conducted to elucidate the mechanisms by which temperature affects bubble size,global reaction performance,and particle-scale reactivity.The simulation results indicate that bubble size increases at elevated temperatures,while H_(2)-char hydrogasification reactivity is enhanced.Particle trajectory analyses reveal that particles sized between 100 and 250μm undergo intense char hydrogasification in the dense phase,contributing to the formation of hot spots.To assess the impact of temperature on the particle-scale flow-transfer-reaction process,the dimensionless quantities of Reynolds,Nusselt,and Sherwood numbers,along with the solids dispersion coefficient,are calculated.It is found that higher temperatures inhibit bubble-induced mass and heat transfer.In general,3 MPa,1123 K,and 3-4 fluidization numbers are identified as the optimal conditions for particles ranging from 0 to350μm.These findings provide valuable insights into the inherent interactions between temperature and gas-particle reaction.
文摘Clean and highly efficient utilization of coal is an important scientific and technological issue.As the petroleum resource decreases but its consumption increases, all of the countries in the world have to face the big issue of sustainable development of energy and economy and protection of environment.Therefore, study on clean coal technology (CCT) has attracted much attention and become one of important themes of energy research.
文摘In recent years,numer-ous single-atom catalysts(SACs)have been synthesized to activate persulfate(PS)by a non-radical pathway because of its high se-lectivity,and activity for the cata-lyst.Metal-nitrogen-carbon(M-N_(x)-C)has been identified as the key active site in SACs.Although methods for preparing SACs have been extensively reported,a systematic summary of the direct construction of M-N_(x)-C,espe-cially unconventional metal-nitrogen-carbon(UM-N_(x)-C,x≠4),on SACs for PS non-radical activation has still not been reported.The role of the M-N_(x)-C active sites on PS non-radical activation is discussed and methods for the formation of M-N_(x)-C and UM-N_(x)-C active sites in SACs and the effect of catalyst carriers such as carbon nitride(g-C_(3)N_(4)),MOFs,COFs,and other car-bon materials are reviewed.Direct and indirect methods,especially for UM-N_(x)-C active site formation,are also elaborated.Factors affecting the formation of a M-N_(x)-C active site on SACs are also discussed.Prospects for the use of M-N_(x)-C active sites for the non-radical activation of PS by SACs to remove organic contaminants from wastewater are evaluated.
基金supported by Fundamental Research Program of Shanxi Province(202203021221303)。
文摘Transformation of urea and glycerol to glycerol carbonate is an environmental friendly and economical process.Catalysts play an indispensable role in the process.Although many catalysts have been developed,the performance of the catalysts still cannot meet the needs of industrialization.In this paper,research progress of the homogeneous and heterogeneous catalysts of the reaction over the past 20 years were reviewed systematically.According to the types and active centers of catalysts,the catalysts were classified systematically and analyzed in detail.The typical reaction mechanisms were also summarized.The research and development direction of catalysts is made more explicit through systematic classification and mechanism analysis.The article reveals more novel catalysts have been designed and used for the reaction,such as mixed metal oxides with special structures,solid wastes and non-metallic materials.This work summarized the current state of research and prospected possible routes for design of novel catalysts.It is hoped that this review can provide some references for developing efficient catalysts.
基金supported financially by the National Natural Science Foundation of China(22302222,22072172)the Postdoctoral Science Foundation(2024T170965,2023M743641)+5 种基金the Youth Innovation Promotion Association CAS(Y2021056)Joint Fund of the Yulin University and the Dalian National Laboratory for Clean Energy(YLU-DNL Fund 2022007)the Major Science and Technology Projects of Shanxi Province(202005D121002)the Special Fund for Science and Technology Innovation Teams of Shanxi Province(202304051001007)the Science and Technology Department of Shanxi Province(202303021222409)the Shanxi Provincial Department of Human and Social Resources Security’s Doctor Introduction Program(2024SHB001)。
文摘Electrocatalytic carbon dioxide reduction(CO_(2)RR)represents an innovative technology for energy conversion by converting CO_(2)into value-added multi-carbon fuels and chemicals,with copper(Cu)-based catalysts playing a pivotal role as the only known metallic capable of driving such multi-carbon product formation.However,pure Cu catalysts suffer from intrinsic limitations,including suboptimal selectivity toward desired hydrocarbons due to unstable key intermediate,and rapid deactivation caused by catalyst surface reconstruction under operational conditions.Cu-based alloy catalysts address the challenges of low selectivity,poor stability,and high overpotential in the electrocatalytic reduction of CO_(2)by optimizing intermediate adsorption and enhancing reaction kinetics.This review systematically examines the catalytic mechanisms,design principles,and performance of Cu alloys in steering CO_(2)RR pathways toward key products(CO,HCOOH,CH_(4),C_(2)H_(4),and C_(2+)alcohols).By alloying Cu with secondary metals(e.g.,Ag,Zn,Sn,or rare-earth elements),bimetallic electronic effects modulate intermediate adsorption energetics(^(*)CO,^(*)COOH,^(*)OCHO)and enhance C–C coupling kinetics.We propose future directions integrating in situ characterization and machine learning-driven alloy design to bridge fundamental understanding with industrial application.This work provides a comprehensive roadmap for developing nextgeneration Cu alloy catalysts to enable efficient CO_(2)valorization in a carbon–neutral energy landscape.
基金Postdoctoral Fellowship Program of CPSF(GZC20232672)CAS Project for Young Scientists in Basic Research(YSBR-028)the Strategic Priority Research Program(XDA29010200)are gratefully acknowledged.
文摘To optimize secondary air nozzle structure in purifying burner,this study focused on the comparison of purification,combustion and NO_(x)emission characteristics of pulverized coal preheated by a 30 kW purifying burner with coaxial and centrosymmetric structures.Centrosymmetric structure shifted the position of main burning region down in high-temperature reduction unit(HTRU),and the number of branches differently influenced the temperature in different regions with this structure.For reductive gas components,CO concentration with centrosymmetric structure was higher compared to coaxial structure,while the differences in H_(2)and CH_(4)concentrations were smaller.Centrosymmetric structure was more disadvantageous to improve physicochemical properties of pulverized coal compared to coaxial structure,and this structure with four branches further deteriorated its properties compared to two branches.In mild combustion unit(MCU),the temperature at top was lower with centrosymmetric structure,while was higher in the rest.Centrosymmetric structure more effectively reduced NO_(x)emission compared to coaxial structure,but with slight sacrifice of combustion efficiency(η).Moreover,both two-branch and four-branch centrosymmetric structures realized ultra-low NO_(x)emission(<50 mg·m^(-3))with high η of over 98.50%,and the former was more advantageous.With this optimal structure,η and NO_(x)emission were 99.25%and 40.42 mg·m^(-3).
基金supported by the National Natural Science Foundation of China(82301052)China Postdoctoral Science Foundation(2023M732151)+3 种基金Shanxi Provincial Science and Technology Department(202303021212131)Health Commission of Shanxi Province(2022XM14)Shanxi Provincial Education Department(2022L165)Shanxi Medical University(XD2232)。
文摘The huge carrier transfer resistance caused by large-sized"nitrogen pot"severely limits the photocatalytic performance of carbon nitride(CN).This study aims to explore the selection principle of metal ion bridges for constructing dual carrier-transfer channels to delivery carriers to respectively active sites using photodegradation of phenol as the model reaction.Density functional theory(DFT)calculation was used to optimize the structure model of nitrogen vacancies(Nv,provide active sites for reduction of O_(2) and oxidation of phenol)and metal ions(Fe^(3+),Co^(2+),Ni^(2+)or Cu^(2+))co-modified CN,and screen metal ion bridges based on the three parameters including bonding state of metal ion and"nitrogen pot",electrostatic potential(ESP)distribution around the active sites,and three-electron bond length.Both calculation results and activity data show that Fe^(3+),Co^(2+)and Ni^(2+)can construct dual carrier-transfer channels to promote the degradation of phenol while Cu^(2+)cannot Ny and Fe^(3+)co-modified CN(Fe/N_(v)-CN)showed the best catalytic performance among various catalysts and was used as the model catalyst for the detailed characterization to verify the calculation results.This work provides not only the novel strategy for constructing dual carrier-transfer channels in CN,but also the crucial basis for computer simulation as a prediction tool of catalyst structure design rationality.
基金supported by the Regional Cooperation Program of Shanxi Province(No.202304041101039)ICC-CAS(No.SCJC-WRW-2023-18)+1 种基金the Fundamental Research Program of Shanxi Province(No.202203021222404)the Open Research Fund of State Environmental Protection Key Laboratory for Lake Pollution Control(No.2022HPYB-09)。
文摘There is an urgent need to investigate the distinct performance and mechanism of traditional constructed wetland(CW),microbial fuel cells-constructed wetland(MFC-CW)and direct-enchanced constructed wetland(EC-CW)for antibiotics removal.To address this issues,three kinds of CWs were bulit and distinct performance and mechanism for levofloxacin(LVFX)removal was expored in this study.MFC-CW,EC-CW achieved high LVFX removal efficiencies compared with traditional constructed wetland(96.0%in MFC-CW,95.0%in EC-CW and 91.2%in CW)and the biodegradation was the key contributor(90.7%-95.3%).MFC-CW is better capable to stimulate microbial activity and strengthen the removal effect of LVFX.MFC-CW performed well in reducing the effluent's ecotoxicity(dehydrogenase activity)and antibiotic resistance genes(ARGs).ARGs were mainly distributed in the anode region of MFC-CW while accumulating in the cathode region of EC-CW.Atribacteria,Chlorobi,Synergistetes and Firmicutes significicant effect on the efficiencies of TN,NH_(4)^(+),and LVFX.The core node for microbial community interaction in CW was only Pseudomonas in Proteobacteria(OTU4537).While MFC-CW included Opitutae_vadin HA64(OTU3153)in Verrucomicrobia,Desulfomicrobium(OTU3629)in Proteobacteria,and Actinobacteria Gaiellales(OTU4206),and EC-CW included Mesotoga(OTU1104)in Thermotogae,Syntrophus(OTU3207)in Proteobacteria and Emticicia(OTU3788)in Bacteroidetes.MFC-CW and EC-CW increased the abundance of critical microbial communities,and the microbial communities were more closely related.This study improved the understanding of the molecular mechanisms underlying the enhancement of CW by the two bioelectrochemical methods.
基金financially supported by SINOPEC Research Institute of Petroleum Processing Co.,Ltd.the National Natural Science Foundation of China(22302220)+2 种基金the Shanxi Province Science Foundation for Youth(202203021222403)Funding support was also received from the Synfuels China Co.,Ltd.the Institute of Coal Chemistry,Chinese Academy of Sciences。
文摘The widespread use of plastic waste has caused significant environmental pollution,becoming a focal point of global concern,particularly the challenge of dechlorination in mixed plastic waste.Selective dissolution is a promising plastic chemical recycling technology that offers benefits such as simple processes,convenient operation,and recyclable solvents.However,selecting suitable solvents remains a challenge.This study establishes a virtual solvent database containing 530 common inorganic and organic solvents.By calculating theσ-profile of polyvinyl chloride(PVC)and polyethylene(PE)models using quantum mechanical calculations and employing the conductor-like screening model for real solvents(COSMO-RS)method,the solubility performance of these solvents for PVC and PE at different temperatures was predicted.The results demonstrate the high accuracy of the COSMO-RS method in predicting solubility.By comparing the solubility differences between PVC and PE in different solvents,a series of solvents suitable for selectively removing PVC from mixed plastics were identified,for example,N-methyl-2-pyrrolidone(NMP),dimethyl sulfoxide(DMSO),tetrahydrofuran(THF),and N,Ndimethylacetamide(DMAc).This method provides a novel solution to the solvent selection challenge in plastic chemical recycling,potentially shortening the research and development period,reducing experimental costs,and promoting the development of green and refined waste plastic recycling processes.
